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Theoretical insights into the stability of buckled tetragonal graphene and the prediction of novel carbon allotropes 期刊论文
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2023, 卷号: 25, 期号: 18, 页码: 13116-13125
作者:  Cheng, Chao;  Zhang, Xin;  Ma, Shangyi;  Wang, Shaoqing
收藏  |  浏览/下载：5/0  |  提交时间：2024/01/07
The role of phonon anharmonicity on the structural stability and phonon heat transport of CrFeCoNiCux high-entropy alloys at finite temperatures 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2023, 卷号: 935, 页码: 13
作者:  Cheng, Chao;  Ma, Shangyi;  Wang, Shaoqing
收藏  |  浏览/下载：53/0  |  提交时间：2023/05/09
High-entropy alloys  Phonon unfolding  Anharmonic phonon scattering  Structural stability  Lattice thermal conductivity  
The role of phonon anharmonicity on the structural stability and phonon heat transport of CrFeCoNiCux high-entropy alloys at finite temperatures 期刊论文
JOURNAL OF ALLOYS AND COMPOUNDS, 2023, 卷号: 935, 页码: 13
作者:  Cheng, Chao;  Ma, Shangyi;  Wang, Shaoqing
收藏  |  浏览/下载：48/0  |  提交时间：2023/05/09
High-entropy alloys  Phonon unfolding  Anharmonic phonon scattering  Structural stability  Lattice thermal conductivity  
Effect of grain boundary atomic density and temperature on < 110 > symmetric tilt grain boundaries in tungsten: An atomistic study 期刊论文
JOURNAL OF NUCLEAR MATERIALS, 2023, 卷号: 574, 页码: 11
作者:  He, Hong;  Ma, Shangyi;  Wang, Shaoqing
收藏  |  浏览/下载：43/0  |  提交时间：2023/05/09
Grain boundaries  Tungsten  Grain boundary atomic density  Molecular dynamics simulation  
Molecular dynamics study on the contribution of anisotropic phonon transmission to thermal conductivity of silicon 期刊论文
JOURNAL OF PHYSICS-CONDENSED MATTER, 2022, 卷号: 34, 期号: 43, 页码: 10
作者:  Cheng, Chao;  Wang, Shaoqing
收藏  |  浏览/下载：118/0  |  提交时间：2022/10/08
Fourier projection method  molecular dynamics  anharmonic vibration  thermal conductivity  
First-principles study on the atomic structure of two-dimensional molybdenum boride 期刊论文
Materials Research Express, 2022, 卷号: 9, 期号: 3
作者:  Ma,Linlin;  Cheng,Chao;  Zhang,Xin;  Wang,Shaoqing
收藏  |  浏览/下载：105/0  |  提交时间：2022/07/01
2D molybdenum boride  binding energy  chemical bonding  atomic structure stability  low-dimensional material  
Survey of Grain Boundary Energies in Tungsten and Beta-Titanium at High Temperature 期刊论文
MATERIALS, 2022, 卷号: 15, 期号: 1, 页码: 14
作者:  He, Hong;  Ma, Shangyi;  Wang, Shaoqing
收藏  |  浏览/下载：88/0  |  提交时间：2022/07/01
grain boundary energy  molecular dynamics  body-centered cubic metals  high temperature  
Molecular dynamics investigation on tilt grain boundary energies of beta-titanium and tungsten at high temperature 期刊论文
Materials Research Express, 2021, 卷号: 8, 期号: 11
作者:  He,Hong;  Ma,Shangyi;  Wang,Shaoqing
收藏  |  浏览/下载：87/0  |  提交时间：2022/01/27
molecular dynamics simulation  grain boundary energy  beta-titanium  tungsten  
Interfacial Strengthening of Graphene/Aluminum Composites through Point Defects: A First-Principles Study 期刊论文
NANOMATERIALS, 2021, 卷号: 11, 期号: 3, 页码: 15
作者:  Zhang, Xin;  Wang, Shaoqing
收藏  |  浏览/下载：109/0  |  提交时间：2021/10/15
Stone–  Wales defect  single vacancy  double vacancy  interfacial bonding strength  mechanical properties  graphene  Al composites  
Interfacial Strengthening of Graphene/Aluminum Composites through Point Defects: A First-Principles Study 期刊论文
NANOMATERIALS, 2021, 卷号: 11, 期号: 3, 页码: 15
作者:  Zhang, Xin;  Wang, Shaoqing
收藏  |  浏览/下载：122/0  |  提交时间：2021/10/15
Stone–  Wales defect  single vacancy  double vacancy  interfacial bonding strength  mechanical properties  graphene  Al composites